Geometry & MOs

Info

ID:	330237
PubChem CID:	127247224
Reduced:	SO3N5C15H21 (1)
Stoich.:	AB3C5D15E21 (1)
Weight, g/mol:	352.120526
ΔH_f, kcal/mol:	-66.49
Dipole, Da:	7.65
IP(EA), eV:	-9.53(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C(=O)N2CCC(C2)C3=C(C=NN3)S(=O)(=O)C)C

DOS

IR

Vibrations